5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol

C15H13BrFN3S — CID 166153286

IUPAC5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol
SMILESNc1ncc(Br)cc1F.Sc1c[nH]c(-c2ccccc2)c1
InChIInChI=1S/C10H9NS.C5H4BrFN2/c12-9-6-10(11-7-9)8-4-2-1-3-5-8;6-3-1-4(7)5(8)9-2-3/h1-7,11-12H;1-2H,(H2,8,9)
InChIKeyVYOFOCPOGUCRHW-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.54
Rot. Bonds1

About 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol

5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol (PubChem CID 166153286) has the molecular formula C15H13BrFN3S and a molecular weight of 366.26 g/mol. Its IUPAC name is 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol.

Molecular Properties

Compound Name5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol
PubChem CID166153286
Molecular FormulaC15H13BrFN3S
Molecular Weight366.26 g/mol
Exact Mass365.00
IUPAC Name5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol
SMILESNc1ncc(Br)cc1F.Sc1c[nH]c(-c2ccccc2)c1
InChIInChI=1S/C10H9NS.C5H4BrFN2/c12-9-6-10(11-7-9)8-4-2-1-3-5-8;6-3-1-4(7)5(8)9-2-3/h1-7,11-12H;1-2H,(H2,8,9)
InChIKeyVYOFOCPOGUCRHW-UHFFFAOYSA-N
XLogP4.54
TPSA54.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol?
The IUPAC name of 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol (CID 166153286) is 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol.
What is the SMILES notation for 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol?
The canonical SMILES for 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol is Nc1ncc(Br)cc1F.Sc1c[nH]c(-c2ccccc2)c1.
What is the InChIKey of 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol?
The InChIKey is VYOFOCPOGUCRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS.C5H4BrFN2/c12-9-6-10(11-7-9)8-4-2-1-3-5-8;6-3-1-4(7)5(8)9-2-3/h1-7,11-12H;1-2H,(H2,8,9).
What are the key properties of 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol?
5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol has a molecular weight of 366.26 g/mol, XLogP of 4.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoropyridin-2-amine;5-phenyl-1H-pyrrole-3-thiol is sourced from PubChem (CID 166153286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).